N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]-2-oxidanyl-benzenesulfonamide

Systemtic Name: N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: 2-hydroxy-N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: 2-hydroxy-N-[4-methyl-2-[3-(methylthio)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: 2-hydroxy-N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]benzenesulfonamide Traditional Name: 2-hydroxy-N-[4-methyl-2-[3-(methylthio)piperazino]phenyl]benzenesulfonamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C18H23N3O3S2/c1-13-7-8-14(15(11-13)21-10-9-19-18(12-21)25-2)20-26(23,24)17-6-4-3-5-16(17)22/h3-8,11,18-20,22H,9-10,12H2,1-2H3